3-ethyl-N-methylheptan-1-amine

C10H23N — CID 13212924

IUPAC3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CCNC
InChIInChI=1S/C10H23N/c1-4-6-7-10(5-2)8-9-11-3/h10-11H,4-9H2,1-3H3
InChIKeyJAOXDHIAQGOXHQ-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.81
Rot. Bonds7

About 3-ethyl-N-methylheptan-1-amine

3-ethyl-N-methylheptan-1-amine (PubChem CID 13212924) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is 3-ethyl-N-methylheptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methylheptan-1-amine
PubChem CID13212924
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Name3-ethyl-N-methylheptan-1-amine
SMILESCCCCC(CC)CCNC
InChIInChI=1S/C10H23N/c1-4-6-7-10(5-2)8-9-11-3/h10-11H,4-9H2,1-3H3
InChIKeyJAOXDHIAQGOXHQ-UHFFFAOYSA-N
XLogP2.81
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methylheptan-1-amine?
The IUPAC name of 3-ethyl-N-methylheptan-1-amine (CID 13212924) is 3-ethyl-N-methylheptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methylheptan-1-amine?
The canonical SMILES for 3-ethyl-N-methylheptan-1-amine is CCCCC(CC)CCNC.
What is the InChIKey of 3-ethyl-N-methylheptan-1-amine?
The InChIKey is JAOXDHIAQGOXHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N/c1-4-6-7-10(5-2)8-9-11-3/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-ethyl-N-methylheptan-1-amine?
3-ethyl-N-methylheptan-1-amine has a molecular weight of 157.30 g/mol, XLogP of 2.81, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methylheptan-1-amine is sourced from PubChem (CID 13212924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).